2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol

C16H15N5O2 — CID 170041379

IUPAC2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(-c3cc4c(nn3)NCCO4)c(O)c2)cn1
InChIInChI=1S/C16H15N5O2/c1-21-9-11(8-18-21)10-2-3-12(14(22)6-10)13-7-15-16(20-19-13)17-4-5-23-15/h2-3,6-9,22H,4-5H2,1H3,(H,17,20)
InChIKeyRCZAWGUPXLQRAJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.05
Rot. Bonds2

About 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol

2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol (PubChem CID 170041379) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
PubChem CID170041379
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol
SMILESCn1cc(-c2ccc(-c3cc4c(nn3)NCCO4)c(O)c2)cn1
InChIInChI=1S/C16H15N5O2/c1-21-9-11(8-18-21)10-2-3-12(14(22)6-10)13-7-15-16(20-19-13)17-4-5-23-15/h2-3,6-9,22H,4-5H2,1H3,(H,17,20)
InChIKeyRCZAWGUPXLQRAJ-UHFFFAOYSA-N
XLogP2.05
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(6-Amino-5-(1-(pyridin-
CID 137029394
US10308614, Example 166
CID 137029457
US10308614, Example 167
CID 137029459
6-(2-fluoro-6-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazin-3-amine
CID 86710720
5-(1-Methylpyrazol-4-yl)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-3-(trifluoromethoxy)phenol
CID 136253082
2-[6-[(1,5-Dimethyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridazin-3-yl]-5-(6-fluoro-5-methoxy-3-pyridinyl)phenol
CID 153532842
2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(6-fluoro-5-methoxy-3-pyridinyl)phenol
CID 154598955
5-(6-Fluoro-5-methoxy-3-pyridinyl)-2-[6-(methylamino)pyridazin-3-yl]phenol
CID 155041583
2-[6-[cyclopropyl-[(1S,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]amino]pyridazin-3-yl]-5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-7-yl)phenol
CID 166581100
2-[6-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)oxyphenol
CID 166586417
2-[6-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)oxyphenol
CID 166586438
2-[6-[[(6S,7R)-6-fluoro-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 166586656

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The IUPAC name of 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol (CID 170041379) is 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol is Cn1cc(-c2ccc(-c3cc4c(nn3)NCCO4)c(O)c2)cn1.
What is the InChIKey of 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
The InChIKey is RCZAWGUPXLQRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-21-9-11(8-18-21)10-2-3-12(14(22)6-10)13-7-15-16(20-19-13)17-4-5-23-15/h2-3,6-9,22H,4-5H2,1H3,(H,17,20).
What are the key properties of 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol?
2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol has a molecular weight of 309.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-6H-pyridazino[4,3-b][1,4]oxazin-3-yl)-5-(1-methylpyrazol-4-yl)phenol is sourced from PubChem (CID 170041379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).